CID 53442687

1-(2-sulfanylethoxy)ethan-1-ol

Structural Information

Molecular Formula

C₄H₁₀O₂S

SMILES

CC(O)OCCS

InChI

InChI=1S/C4H10O2S/c1-4(5)6-2-3-7/h4-5,7H,2-3H2,1H3

InChIKey

WKZSHTTZNHCMKA-UHFFFAOYSA-N

Compound name

1-(2-sulfanylethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 122.04015 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	123.047426	123.1
[M+Na]+	145.029368	130.3
[M-H]-	121.032874	122.5
[M+NH4]+	140.073973	145.3
[M+K]+	161.003308	130.0
[M+H-H2O]+	105.037410	118.7
[M+HCOO]-	167.038351	139.9
[M+CH3COO]-	181.054001	167.2
[M+Na-2H]-	143.014816	125.9
[M]+	122.03960142	126.0
[M]-	122.04069858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe